SpectraBase Compound ID | 8fgByszfKP5 |
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InChI | InChI=1S/C8H18O/c1-6(2)7(3)8(4,5)9/h6-7,9H,1-5H3 |
InChIKey | FTPXXARYDFWPGE-UHFFFAOYSA-N |
Mol Weight | 130.23 g/mol |
Molecular Formula | C8H18O |
Exact Mass | 130.135765 g/mol |
SpectraBase Spectrum ID | K22KrdLEv6f |
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Name | 2,3,4-Trimethyl-2-pentanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 130.135765199 u |
Formula | C8H18O |
InChI | InChI=1S/C8H18O/c1-6(2)7(3)8(4,5)9/h6-7,9H,1-5H3 |
InChIKey | FTPXXARYDFWPGE-UHFFFAOYSA-N |
Molecular Weight | 130.231 g/mol |
SMILES | CC(C)C(C)C(C)(C)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967746 |